Information card for entry 2212597

Structure parameters

• Chemical name: 1,9'-Dimethyl-2',4'-diphenyl-4',9'-dihydro-2'H-spiro[indoline-3,3'- thiopyrano[2,3-b]indole]-2-thione
• Formula: C32 H26 N2 S2
• Calculated formula: C32 H26 N2 S2
• SMILES: Cn1c2ccccc2c2c1S[C@@H](c1ccccc1)[C@]1([C@H]2c2ccccc2)c2ccccc2N(C)C1=S.Cn1c2ccccc2c2c1S[C@H](c1ccccc1)[C@@]1([C@@H]2c2ccccc2)c2ccccc2N(C)C1=S
• Title of publication: 1,9'-Dimethyl-2',4'-diphenyl-4',9'-dihydro-2'<i>H</i>-spiro[indoline-3,3'-thiopyrano[2,3-<i>b</i>]indole]-2-thione
• Authors of publication: Hojabri, Leila; Matloubi, Firouz M.; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1306 - o1307
• a: 11.9699 ± 0.0013 Å
• b: 12.3375 ± 0.0015 Å
• c: 17.8027 ± 0.0018 Å
• α: 90°
• β: 100.192 ± 0.008°
• γ: 90°
• Cell volume: 2587.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes